Figure 6
(a) Apo I PvSAE complex with malonate. Active-site residues and malonate are shown as sticks. The electron density surrounding malonate is σA-weighted 2Fo − Fc density contoured at 1σ (0.33 e− A−3). (b) Superposition of active sites containing malonate and acetic acid. The Apo I structure, containing malonate, is shown with C atoms coloured green. PDB entry 6njc, containing acetate, is shown with C atoms coloured blue. (c) 9-O-Acetylsialic acid docked into the `open' active site of the Apo I structure and (d) into the `blocked' active site of Apo I. Polar interactions within 3.2 Å are shown as black dashed lines in all panels. |